SCHEMBL3176111

SCHEMBL3176111

Cc1ccc(-n2nc(C(C)(C)C)cc2N)cc1OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCK P08631 3/20 0.40
PIK3CD O00329 1/20 0.40
ABL1 P00519 1/20 0.40
SRC P12931 1/20 0.40
KDR P35968 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
MTOR P42345 1/20 0.40
PIK3CG P48736 1/20 0.40
EPHB4 P54760 1/20 0.40
PRKDC P78527 1/20 0.40
PI4KB Q9UBF8 1/20 0.40
MAPK14 Q16539 7/20 0.40
MAPK12 P53778 4/20 0.40
MAPK13 O15264 2/20 0.40
MAPK11 Q15759 2/20 0.40
ATP4A P20648 1/20 0.40
ATP4B P51164 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
STAT3 P40763 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2082879 0.83 MAPK14 (0.47) MAPK14MAPK12MAPK13MAPK11SMN1; SMN2
SCHEMBL13532214 0.80 MEN1 (0.46) MAPK14MAPK12MAPK13MAPK11SMN1; SMN2
Hydrochloric Acid SCHEMBL3179045 0.79 MEN1 (0.48) MAPK14MAPK12MAPK13MAPK11SMN1; SMN2
SCHEMBL4081884 0.76 MEN1 (0.42) MAPK14MAPK12MAPK13MAPK11SMN1; SMN2
SCHEMBL16280011 0.76 MEN1 (0.64) MAPK14MAPK12MAPK13MAPK11SMN1; SMN2
SCHEMBL29396544 0.76 MEN1 (0.64) MAPK14MAPK12MAPK13MAPK11SMN1; SMN2
SCHEMBL3169103 0.75 MAPK14 (0.40) HCKSRCMAPK14MAPK12MAPK13
SCHEMBL3169111 0.75 MAPK14 (0.50) HCKSRCMAPK14MAPK12MAPK13
SCHEMBL16279693 0.75 MAPK14 (0.51) HCKABL1SRCKDREPHB4
SCHEMBL1264553 0.74 CYP1A2 (0.61) MAPK14MAPK12MAPK13MAPK11SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100016319-A1 ARYLMETHYLENE UREA DERIVATIVE AND USE THEREOF TORAY INDUSTRIES, INC. A CORPORATION OF JAPAN (JP) 2010-01-21 US disclosed
US-20100016319-A1 ARYLMETHYLENE UREA DERIVATIVE AND USE THEREOF TORAY INDUSTRIES, INC. A CORPORATION OF JAPAN (JP) 2010-01-21 US disclosed
US-20100016319-A1 ARYLMETHYLENE UREA DERIVATIVE AND USE THEREOF TORAY INDUSTRIES, INC. A CORPORATION OF JAPAN (JP) 2010-01-21 US disclosed
EP-1970375-A1 ARYLMETHYLENE UREA DERIVATIVE AND USE THEREOF TORAY INDUSTRIES, INC. (JP) 2008-09-17 EP disclosed
EP-1970375-A1 ARYLMETHYLENE UREA DERIVATIVE AND USE THEREOF TORAY INDUSTRIES, INC. (JP) 2008-09-17 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100016319-A1 ARYLMETHYLENE UREA DERIVATIVE AND USE THEREOF UROD, UTS2R, SLC14A1 HCK 2985/4885PIK3CD 4142/4885ABL1 1073/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.